BDBM50277113 (1S,16R)-13-(cyclopropylmethyl)-1,6,16-trimethyl-5,7,13-triazatetracyclo[10.3.1.0^{2,10}.0^{4,8}]hexadeca-2,4(8),6,9-tetraene::CHEMBL473699

SMILES: C[C@H]1C2Cc3cc4[nH]c(C)nc4cc3[C@@]1(C)CCN2CC1CC1

InChI Key: InChIKey=PVOGJENIZFDIAO-BFKPJKFSSA-N

Data: 3 KI  1 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50277113   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50277113 ((1S,16R)-13-(cyclopropylmethyl)-1,6,16-trimethyl-5...) Show SMILES C[C@H]1C2Cc3cc4[nH]c(C)nc4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:12:13:1:18.17.16,19:18:1:4.13.3| Show InChI InChI=1S/C20H27N3/c1-12-19-9-15-8-17-18(22-13(2)21-17)10-16(15)20(12,3)6-7-23(19)11-14-4-5-14/h8,10,12,14,19H,4-7,9,11H2,1-3H3,(H,21,22)/t12-,19?,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 365-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.076 BindingDB Entry DOI: 10.7270/Q2M0458C
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50277113 ((1S,16R)-13-(cyclopropylmethyl)-1,6,16-trimethyl-5...) Show SMILES C[C@H]1C2Cc3cc4[nH]c(C)nc4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:12:13:1:18.17.16,19:18:1:4.13.3| Show InChI InChI=1S/C20H27N3/c1-12-19-9-15-8-17-18(22-13(2)21-17)10-16(15)20(12,3)6-7-23(19)11-14-4-5-14/h8,10,12,14,19H,4-7,9,11H2,1-3H3,(H,21,22)/t12-,19?,20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 365-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.076 BindingDB Entry DOI: 10.7270/Q2M0458C
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50277113 ((1S,16R)-13-(cyclopropylmethyl)-1,6,16-trimethyl-5...) Show SMILES C[C@H]1C2Cc3cc4[nH]c(C)nc4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:12:13:1:18.17.16,19:18:1:4.13.3| Show InChI InChI=1S/C20H27N3/c1-12-19-9-15-8-17-18(22-13(2)21-17)10-16(15)20(12,3)6-7-23(19)11-14-4-5-14/h8,10,12,14,19H,4-7,9,11H2,1-3H3,(H,21,22)/t12-,19?,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 365-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.076 BindingDB Entry DOI: 10.7270/Q2M0458C
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50277113 ((1S,16R)-13-(cyclopropylmethyl)-1,6,16-trimethyl-5...) Show SMILES C[C@H]1C2Cc3cc4[nH]c(C)nc4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:12:13:1:18.17.16,19:18:1:4.13.3| Show InChI InChI=1S/C20H27N3/c1-12-19-9-15-8-17-18(22-13(2)21-17)10-16(15)20(12,3)6-7-23(19)11-14-4-5-14/h8,10,12,14,19H,4-7,9,11H2,1-3H3,(H,21,22)/t12-,19?,20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding				Bioorg Med Chem Lett 19: 365-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.076 BindingDB Entry DOI: 10.7270/Q2M0458C
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50277113 ((1S,16R)-13-(cyclopropylmethyl)-1,6,16-trimethyl-5...) Show SMILES C[C@H]1C2Cc3cc4[nH]c(C)nc4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:12:13:1:18.17.16,19:18:1:4.13.3| Show InChI InChI=1S/C20H27N3/c1-12-19-9-15-8-17-18(22-13(2)21-17)10-16(15)20(12,3)6-7-23(19)11-14-4-5-14/h8,10,12,14,19H,4-7,9,11H2,1-3H3,(H,21,22)/t12-,19?,20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding				Bioorg Med Chem Lett 19: 365-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.076 BindingDB Entry DOI: 10.7270/Q2M0458C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50277113 ((1S,16R)-13-(cyclopropylmethyl)-1,6,16-trimethyl-5...) Show SMILES C[C@H]1C2Cc3cc4[nH]c(C)nc4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:12:13:1:18.17.16,19:18:1:4.13.3| Show InChI InChI=1S/C20H27N3/c1-12-19-9-15-8-17-18(22-13(2)21-17)10-16(15)20(12,3)6-7-23(19)11-14-4-5-14/h8,10,12,14,19H,4-7,9,11H2,1-3H3,(H,21,22)/t12-,19?,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.80	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding				Bioorg Med Chem Lett 19: 365-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.076 BindingDB Entry DOI: 10.7270/Q2M0458C
					More data for this Ligand-Target Pair